Physicochemical Properties
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.25116 |
| Exact Mass | 234.1 |
| CAS # | 61837-65-8 |
| Related CAS # | 4-Hydroxymephenytoin-d3;1173022-56-4 |
| PubChem CID | 119507 |
| Appearance | White to off-white solid powder |
| Density | 1.3±0.1 g/cm3 |
| Melting Point | 153-154ºC |
| Index of Refraction | 1.568 |
| LogP | 0.66 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 17 |
| Complexity | 337 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | OQPLORUDZLXXPD-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17) |
| Chemical Name | 5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro | 4-Hydroxymephenytoin is a highly potent derivative of mephenytoin, an antifungal medication and CYP2C19 substrate [1]. 4- Hydroxymephenytoin can be utilized to create ultrachromatographic (UPLC) flow chart assays for the evaluation of related excipients and CYP probe drugs in human or extracted samples [2]. |
| References |
[1]. Simple and selective assay of 4-hydroxymephenytoin in human urine using solid-phase extraction and high-performance liquid chromatography with electrochemical detection and its preliminary application to phenotyping test. J Chromatogr B Biomed Appl. 1996 Feb 9;676(1):87-94. [2]. A UPLC-MS/MS assay of the "Pittsburgh cocktail": six CYP probe-drug/metabolites from human plasma and urine using stable isotope dilution. Analyst. 2011 Feb 7;136(3):605-12. |
| Additional Infomation | Hydroxymephenytoin is an imidazolidine-2,4-dione. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~426.89 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.67 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (10.67 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (10.67 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.2689 mL | 21.3447 mL | 42.6894 mL | |
| 5 mM | 0.8538 mL | 4.2689 mL | 8.5379 mL | |
| 10 mM | 0.4269 mL | 2.1345 mL | 4.2689 mL |